SCHEMBL7480558

SCHEMBL7480558

COc1cc(C(=O)N(C)c2ccccc2N2CCN(C)CC2)ccc1NC(=O)c1cccc2[nH]c(C)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 5/20 0.44
MAPK1 P28482 3/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTR6 P50406 1/20 0.41
WDR5 P61964 1/20 0.40
BRD4 O60885 2/20 0.40
POLB P06746 1/20 0.39
MAP3K7 O43318 2/20 0.39
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL7481492 0.99 BRPF1 (0.43) BRPF1MAPK1KMT2ASMN1; SMN2MEN1
SCHEMBL7477821 0.93 BRPF1 (0.45) BRPF1KMT2ASMN1; SMN2MEN1L3MBTL1
Hydrochloric Acid SCHEMBL7561848 0.93 BRPF1 (0.45) BRPF1KMT2ASMN1; SMN2MEN1L3MBTL1
SCHEMBL7481778 0.92 BRPF1 (0.44) BRPF1MAPK1KMT2ASMN1; SMN2MEN1
SCHEMBL7594888 0.92 KMT2A (0.45) BRPF1MAPK1KMT2ASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL7965581 0.91 KMT2A (0.44) BRPF1MAPK1KMT2ASMN1; SMN2MEN1
SCHEMBL7973753 0.85 KMT2A (0.46) BRPF1KMT2AMEN1L3MBTL1BRD4
Hydrochloric Acid SCHEMBL7598631 0.84 KMT2A (0.45) BRPF1KMT2AMEN1L3MBTL1BRD4
SCHEMBL7474287 0.82 TP53 (0.44) BRPF1KMT2ASMN1; SMN2MEN1BRD4
SCHEMBL7475104 0.80 TP53 (0.44) KMT2ASMN1; SMN2MEN1POLBTP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6316482-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME, HEPATOCIRRHOSIS, HYPONATREMIA, HYPOKALEMIA, DIABETIC, CIRCULATION DISORDER, CEREBROVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-13 US disclosed
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
EP-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 WO disclosed